Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CG known ✓ | P48736 | 2/20 | 0.45 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.45 |
| ▸ | ROCK2 known ✓ | O75116 | 2/20 | 0.44 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.44 |
| ▸ | FLT4 known ✓ | P35916 | 2/20 | 0.44 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.44 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.43 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.43 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.43 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 14/20 | 0.47 |
| ▸ | CDK1 | P06493 | 14/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 9/20 | 0.47 |
| ▸ | CDK9 | P50750 | 9/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.47 |
| ▸ | FLT3 | P36888 | 2/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28059048 | 0.96 | CDK1 (0.50) | CDK2CDK1CCNT1CCNB1CDK9 | |
| Hydrochloric Acid SCHEMBL28247591 | 0.95 | CDK1 (0.49) | CDK2CDK1CCNT1CCNB1CDK9 | |
| SCHEMBL28865198 | 0.85 | CDK1 (0.50) | CDK2CDK1CCNT1CCNB1CDK9 | |
| SCHEMBL28247410 | 0.83 | CDK1 (0.51) | CDK2CDK1CCNT1CCNB1CDK9 | |
| SCHEMBL28246722 | 0.82 | CDK1 (0.50) | CDK2CDK1CCNT1CCNB1CDK9 | |
| SCHEMBL28865244 | 0.82 | CDK1 (0.47) | CDK2CDK1CCNT1CCNB1CDK9 | |
| SCHEMBL3998413 | 0.81 | JAK3 (0.56) | CDK2CDK1CCNT1CCNB1CDK9 | |
| SCHEMBL28956762 | 0.80 | CDK2 (0.49) | CDK2CDK1CCNT1CCNB1CDK9 | |
| SCHEMBL28247414 | 0.80 | CDK1 (0.46) | CDK2CDK1CCNT1CCNB1CDK9 | |
| SCHEMBL28247405 | 0.80 | CDK1 (0.51) | CDK2CDK1CCNT1CCNB1CDK9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105348203-B | Inhibit the composition and method of JAK approach | 里格尔药品股份有限公司 | 2018-09-18 | — | — | CN | disclosed |